#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 3.49 -0.25 1.12 0.40 -1.04 -3.11 117.98 118.59 1de2 s PHE 2 Ca 0.00 1.71 -0.06 0.00 -0.60 0.00 0.00 56.93 57.98 1de2 s PHE 2 Cb 0.00 -3.06 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 1de2 s PHE 2 CO 0.00 -0.27 0.03 0.15 0.70 0.00 0.00 175.22 175.84 1de2 s LYS 3 N -2.17 3.43 -0.06 0.44 3.01 -0.47 0.62 119.74 124.54 1de2 s LYS 3 Ca 0.53 -0.62 -0.02 0.00 -1.01 0.00 0.00 55.97 54.85 1de2 s LYS 3 Cb -0.22 -3.23 -0.04 0.00 -1.01 0.00 0.00 37.83 33.34 1de2 s LYS 3 CO 0.28 -0.25 0.06 0.08 0.51 0.00 0.00 175.35 176.02 1de2 s VAL 4 N 1.54 4.68 -0.35 3.17 1.01 -0.75 0.14 120.40 129.84 1de2 s VAL 4 Ca 0.05 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1de2 s VAL 4 Cb -0.15 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.28 1de2 s VAL 4 CO 0.01 0.50 0.07 -0.31 0.00 0.00 0.00 175.10 175.38 1de2 s TYR 5 N -1.04 3.51 0.00 5.22 1.51 0.53 0.19 117.35 127.27 1de2 s TYR 5 Ca 0.17 -2.89 0.00 0.00 -1.01 0.00 0.00 57.07 53.34 1de2 s TYR 5 Cb -0.12 -2.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.94 1de2 s TYR 5 CO 0.07 -0.93 0.00 0.41 -1.11 0.00 0.00 175.55 174.00 1de2 n GLY 6 N 4.22 3.40 3.59 0.71 0.00 -0.66 0.77 105.19 117.22 1de2 n GLY 6 Ca 0.04 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N -1.31 3.23 -0.41 1.61 2.02 -1.26 -1.19 117.35 120.03 1de2 s TYR 7 Ca 0.00 0.01 0.09 0.00 -0.37 0.00 0.00 57.07 56.80 1de2 s TYR 7 Cb 0.00 -2.21 0.30 0.00 -0.40 0.00 0.00 41.96 39.65 1de2 s TYR 7 CO 0.00 -0.02 0.65 -3.47 -1.57 0.00 0.00 175.55 171.14 1de2 n ASP 8 N 4.24 1.00 -1.45 2.29 2.03 -1.26 -4.54 116.55 118.87 1de2 n ASP 8 Ca -0.16 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1de2 n ASP 8 Cb 0.52 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1de2 n SER 9 N 0.81 -0.21 -0.21 1.67 3.41 -1.25 -4.99 113.62 112.84 1de2 n SER 9 Ca 0.24 -1.06 0.14 0.00 -0.26 0.00 0.00 58.87 57.93 1de2 n SER 9 Cb 0.56 0.33 0.62 0.00 -0.26 0.00 0.00 64.21 65.47 1de2 n SER 9 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1de2 n ASN 10 N -0.38 0.72 0.04 4.04 5.15 -1.26 -3.39 115.26 120.19 1de2 n ASN 10 Ca 0.01 -0.94 0.12 0.00 -0.60 0.00 0.00 54.58 53.17 1de2 n ASN 10 Cb 0.09 -0.02 0.23 0.00 -0.53 0.00 0.00 39.78 39.55 1de2 n ASN 10 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1de2 n ILE 11 N -0.62 0.24 -3.63 -1.44 -0.00 -1.26 -4.90 119.36 107.75 1de2 n ILE 11 Ca 0.17 -0.18 -0.11 0.00 -0.00 0.00 0.00 62.75 62.63 1de2 n ILE 11 Cb 0.28 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.64 39.79 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de2 s HIS 12 N -3.11 -0.56 0.89 4.28 5.04 -1.22 -4.74 115.29 115.87 1de2 s HIS 12 Ca 0.08 1.33 -0.14 0.00 -1.54 0.00 0.00 55.06 54.80 1de2 s HIS 12 Cb 0.15 0.34 0.15 0.00 0.04 0.00 0.00 32.58 33.26 1de2 s HIS 12 CO 0.70 -0.29 1.25 0.21 -2.34 0.00 0.00 174.74 174.27 1de2 s LYS 13 N 0.13 1.19 -0.31 2.88 2.20 -1.26 -3.87 119.74 120.70 1de2 s LYS 13 Ca 0.01 -0.26 -0.12 0.00 -0.36 0.00 0.00 55.97 55.25 1de2 s LYS 13 Cb -0.05 -1.92 0.19 0.00 -1.51 0.00 0.00 37.83 34.54 1de2 s LYS 13 CO -0.03 -2.05 1.09 0.00 -0.36 0.00 0.00 175.35 174.00 1de2 h VAL 15 N 3.57 1.60 0.00 0.00 -1.51 -1.98 -3.26 116.25 114.67 1de2 h VAL 15 Ca -0.06 -3.15 -0.03 0.00 -1.23 0.00 0.00 66.70 62.23 1de2 h VAL 15 Cb 1.22 2.82 -0.00 0.00 -2.13 0.00 0.00 31.29 33.19 1de2 h VAL 15 CO -0.10 0.91 -0.13 1.88 -1.23 0.00 0.00 177.57 178.90 1de2 h TYR 16 N 0.04 0.00 -0.81 5.19 0.05 -1.97 -2.49 116.97 116.98 1de2 h TYR 16 Ca -0.06 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.74 1de2 h TYR 16 Cb 1.79 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.49 1de2 h TYR 16 CO 0.03 0.13 0.53 0.00 -1.05 0.00 0.00 178.16 177.79 1de2 h ASP 18 N 1.05 0.48 0.08 0.00 3.32 -1.62 0.74 116.42 120.47 1de2 h ASP 18 Ca 0.31 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1de2 h ASP 18 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1de2 h ASP 18 CO -0.09 0.24 -0.04 0.78 -1.72 0.00 0.00 179.24 178.41 1de2 h ASN 19 N 0.60 -0.09 -0.88 6.45 2.35 -1.49 -2.96 115.58 119.58 1de2 h ASN 19 Ca 0.40 -0.40 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1de2 h ASN 19 Cb 0.50 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.81 1de2 h ASN 19 CO -0.32 0.56 0.49 0.00 -1.65 0.00 0.00 177.43 176.52 1de2 h ALA 20 N -0.48 1.31 0.36 -0.83 0.00 -0.40 0.36 119.26 119.58 1de2 h ALA 20 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1de2 h ALA 20 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1de2 h ALA 20 CO 0.02 0.03 -0.19 -0.22 0.00 0.00 0.00 179.25 178.89 1de2 h LYS 21 N 0.75 -0.49 0.00 0.00 3.64 0.40 -2.02 116.57 118.85 1de2 h LYS 21 Ca 0.45 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.82 1de2 h LYS 21 Cb 0.54 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1de2 h LYS 21 CO -0.31 -0.32 -0.21 -0.09 -2.27 0.00 0.00 179.45 176.25 1de2 h ARG 22 N -0.50 0.00 1.00 1.90 2.43 -1.20 -2.28 114.38 115.72 1de2 h ARG 22 Ca -0.05 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1de2 h ARG 22 Cb 0.40 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1de2 h ARG 22 CO 0.07 0.21 -0.48 1.25 -1.51 0.00 0.00 179.97 179.50 1de2 h LEU 23 N 0.00 -1.13 -0.98 3.80 6.46 0.24 0.19 115.31 123.89 1de2 h LEU 23 Ca -0.00 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1de2 h LEU 23 Cb 0.40 0.29 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 1de2 h LEU 23 CO 0.03 -0.81 0.64 -0.07 -0.62 0.00 0.00 178.44 177.61 1de2 h LEU 24 N -1.34 1.06 -1.17 2.25 3.38 -1.30 0.67 115.31 118.87 1de2 h LEU 24 Ca -0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1de2 h LEU 24 Cb 1.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1de2 h LEU 24 CO 0.22 0.72 0.50 0.74 0.09 0.00 0.00 178.44 180.72 1de2 h THR 25 N 1.23 1.21 0.01 0.22 2.02 -1.23 -1.57 112.91 114.80 1de2 h THR 25 Ca 0.40 -0.43 -0.20 0.00 0.77 0.00 0.00 66.41 66.94 1de2 h THR 25 Cb 0.02 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1de2 h THR 25 CO -0.13 0.22 -0.95 0.58 0.37 0.00 0.00 175.52 175.60 1de2 h VAL 26 N 1.08 1.67 0.00 3.16 2.07 0.87 -3.13 116.25 121.97 1de2 h VAL 26 Ca 0.29 -3.21 0.00 0.00 0.82 0.00 0.00 66.70 64.60 1de2 h VAL 26 Cb -0.08 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1de2 h VAL 26 CO -0.06 0.92 0.00 0.50 0.02 0.00 0.00 177.57 178.95 1de2 h LYS 27 N 0.01 0.00 -2.37 1.57 1.63 0.12 -3.47 116.57 114.06 1de2 h LYS 27 Ca -0.02 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1de2 h LYS 27 Cb 1.68 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 33.34 1de2 h LYS 27 CO 0.13 0.00 -0.14 1.17 -3.45 0.00 0.00 179.45 177.16 1de2 n LYS 28 N -2.41 -1.40 -3.80 1.90 4.81 -0.68 -5.06 118.16 111.52 1de2 n LYS 28 Ca 0.02 0.16 -0.13 0.00 -0.87 0.00 0.00 58.31 57.49 1de2 n LYS 28 Cb 0.25 -3.15 -0.13 0.00 0.02 0.00 0.00 35.03 32.01 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1de2 s GLN 29 N -4.70 0.15 0.75 1.64 -1.52 -0.99 -5.07 119.66 109.92 1de2 s GLN 29 Ca 0.05 0.25 -0.11 0.00 -1.95 0.00 0.00 55.36 53.60 1de2 s GLN 29 Cb -0.02 0.02 0.04 0.00 -0.22 0.00 0.00 33.01 32.83 1de2 s GLN 29 CO 0.14 -0.05 1.08 -1.25 -0.25 0.00 0.00 175.29 174.96 1de2 s PRO 30 N 0.34 2.45 0.26 2.91 0.04 -1.26 -4.36 135.00 135.37 1de2 s PRO 30 Ca -0.02 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 61.55 1de2 s PRO 30 Cb -0.03 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1de2 s PRO 30 CO -0.01 -1.39 0.79 -0.59 0.04 0.00 0.00 177.00 175.83 1de2 s PHE 31 N -3.12 -0.14 -0.03 0.56 -0.71 -1.26 -2.49 117.98 110.78 1de2 s PHE 31 Ca 0.60 -0.30 -0.01 0.00 -1.04 0.00 0.00 56.93 56.17 1de2 s PHE 31 Cb -0.14 0.71 0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1de2 s PHE 31 CO 0.54 -1.17 0.04 -1.83 -1.34 0.00 0.00 175.22 171.46 1de2 s GLU 32 N -3.58 0.04 -0.18 1.99 -1.05 0.20 -4.79 118.70 111.32 1de2 s GLU 32 Ca 0.12 0.24 -0.19 0.00 -0.15 0.00 0.00 54.97 54.99 1de2 s GLU 32 Cb -0.05 -0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 33.18 1de2 s GLU 32 CO 0.06 -0.24 0.55 0.12 0.95 0.00 0.00 175.26 176.71 1de2 s PHE 33 N 1.56 3.40 -0.31 4.83 5.36 -1.26 -1.81 117.98 129.74 1de2 s PHE 33 Ca -0.03 0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 56.71 1de2 s PHE 33 Cb -0.13 -2.70 0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1de2 s PHE 33 CO -0.03 -0.08 0.12 0.42 -1.46 0.00 0.00 175.22 174.19 1de2 s ILE 34 N 1.55 4.26 0.28 3.12 1.01 0.51 -4.89 121.20 127.04 1de2 s ILE 34 Ca 0.26 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 1de2 s ILE 34 Cb -0.16 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 1de2 s ILE 34 CO 0.10 0.02 0.85 0.54 0.00 0.00 0.00 174.94 176.45 1de2 s ASN 35 N 1.54 7.20 -0.01 3.58 2.20 -1.26 -1.66 114.94 126.54 1de2 s ASN 35 Ca 0.03 1.65 0.20 0.00 -0.94 0.00 0.00 52.86 53.80 1de2 s ASN 35 Cb -0.18 -2.51 -0.25 0.00 -2.00 0.00 0.00 41.25 36.32 1de2 s ASN 35 CO 0.04 -0.03 0.75 2.30 -2.94 0.00 0.00 177.10 177.22 1de2 n ILE 36 N 0.59 0.00 -3.95 0.54 -5.35 -0.33 -4.83 119.36 106.04 1de2 n ILE 36 Ca 0.00 -0.14 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 1de2 n ILE 36 Cb 0.51 0.74 -0.15 0.00 -1.74 0.00 0.00 39.64 38.99 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -3.06 1.59 0.18 6.28 1.75 -1.26 0.22 119.30 125.00 1de2 s MET 37 Ca 0.04 -1.16 0.10 0.00 -1.25 0.00 0.00 55.69 53.42 1de2 s MET 37 Cb 0.15 -2.65 -0.10 0.00 2.84 0.00 0.00 34.83 35.07 1de2 s MET 37 CO 0.84 -0.68 1.35 -1.00 -0.65 0.00 0.00 175.02 174.88 1de2 h PRO 38 N 7.90 0.00 -3.38 4.11 0.13 -1.86 -3.46 132.00 135.44 1de2 h PRO 38 Ca -0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.84 1de2 h PRO 38 Cb 1.06 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.99 1de2 h PRO 38 CO 0.44 0.80 -0.40 -2.00 -0.23 0.00 0.00 178.00 176.61 1de2 s GLU 39 N -2.81 0.59 0.00 0.86 2.56 -1.26 -5.01 118.70 113.63 1de2 s GLU 39 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 54.97 54.65 1de2 s GLU 39 Cb 0.09 0.25 0.23 0.00 2.00 0.00 0.00 34.13 36.70 1de2 s GLU 39 CO 0.79 -0.16 1.11 0.36 -0.56 0.00 0.00 175.26 176.80 1de2 n LYS 40 N 1.22 0.03 -0.02 4.30 2.85 -1.26 -2.56 118.16 122.71 1de2 n LYS 40 Ca -0.22 0.35 -0.09 0.00 -1.05 0.00 0.00 58.31 57.31 1de2 n LYS 40 Cb 0.56 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.37 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1de2 h GLY 41 N 0.86 -0.07 -5.51 2.58 0.00 -1.95 -3.47 103.07 95.50 1de2 h GLY 41 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 1de2 h GLY 41 CO 0.00 -0.03 -0.30 0.14 0.00 0.00 0.00 176.54 176.36 1de2 s VAL 42 N -2.38 -0.02 1.18 4.60 1.01 -1.06 -5.16 120.40 118.58 1de2 s VAL 42 Ca -0.11 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 1de2 s VAL 42 Cb -0.01 -0.57 0.23 0.00 0.00 0.00 0.00 36.38 36.04 1de2 s VAL 42 CO 0.40 0.02 0.62 0.49 0.00 0.00 0.00 175.10 176.64 1de2 n PHE 43 N 3.68 -1.49 -2.87 5.22 3.72 -1.26 -4.04 117.46 120.42 1de2 n PHE 43 Ca -0.19 -0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 56.69 1de2 n PHE 43 Cb 0.56 -1.62 -0.04 0.00 -0.94 0.00 0.00 39.48 37.43 1de2 n PHE 43 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1de2 s ASP 44 N -2.18 6.34 0.56 4.37 -1.08 0.59 -4.76 116.67 120.51 1de2 s ASP 44 Ca 0.64 -0.37 0.26 0.00 -0.52 0.00 0.00 52.55 52.56 1de2 s ASP 44 Cb -0.20 -2.42 1.53 0.00 -1.46 0.00 0.00 42.92 40.36 1de2 s ASP 44 CO 0.66 -1.17 2.08 0.44 0.52 0.00 0.00 175.17 177.70 1de2 h ASP 45 N 9.25 0.00 0.28 -0.34 5.19 -1.90 -1.00 116.42 127.90 1de2 h ASP 45 Ca -0.26 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1de2 h ASP 45 Cb 1.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.58 1de2 h ASP 45 CO 1.07 0.00 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.68 1de2 h GLU 46 N 0.00 -0.43 -0.35 3.56 5.08 -1.96 0.62 114.58 121.11 1de2 h GLU 46 Ca 0.12 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1de2 h GLU 46 Cb 0.55 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1de2 h GLU 46 CO -0.00 -0.28 -0.38 0.87 -1.00 0.00 0.00 179.01 178.21 1de2 h LYS 47 N -0.44 0.88 -0.46 2.33 6.56 -1.71 -1.89 116.57 121.83 1de2 h LYS 47 Ca -0.03 -0.48 0.03 0.00 -1.06 0.00 0.00 60.65 59.12 1de2 h LYS 47 Cb 0.37 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.02 1de2 h LYS 47 CO 0.03 1.12 0.25 0.82 -2.06 0.00 0.00 179.45 179.61 1de2 h ILE 48 N 0.68 1.00 0.49 1.86 1.08 -1.01 0.53 117.51 122.14 1de2 h ILE 48 Ca 0.05 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1de2 h ILE 48 Cb 0.98 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1de2 h ILE 48 CO 0.09 0.09 -0.23 0.00 -0.69 0.00 0.00 178.15 177.41 1de2 h ALA 49 N 1.23 -0.65 -0.06 1.87 0.00 0.30 -2.84 119.26 119.10 1de2 h ALA 49 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1de2 h ALA 49 Cb 0.07 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1de2 h ALA 49 CO -0.12 -0.73 0.01 1.05 0.00 0.00 0.00 179.25 179.47 1de2 h GLU 50 N -0.93 0.09 0.22 0.00 4.11 -1.26 -2.61 114.58 114.19 1de2 h GLU 50 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 1de2 h GLU 50 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1de2 h GLU 50 CO 0.11 0.09 -0.18 1.25 0.07 0.00 0.00 179.01 180.35 1de2 h LEU 51 N 0.09 -0.46 -0.53 3.06 5.85 0.18 0.27 115.31 123.76 1de2 h LEU 51 Ca 0.02 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1de2 h LEU 51 Cb 0.05 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1de2 h LEU 51 CO -0.00 -0.27 0.17 -0.07 -0.34 0.00 0.00 178.44 177.93 1de2 h LEU 52 N -0.41 0.14 -1.26 2.25 3.38 -1.23 0.23 115.31 118.41 1de2 h LEU 52 Ca -0.01 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1de2 h LEU 52 Cb 0.37 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1de2 h LEU 52 CO -0.02 0.10 -0.01 0.74 0.09 0.00 0.00 178.44 179.34 1de2 h THR 53 N 0.33 1.19 -0.45 0.22 2.02 -1.30 -2.18 112.91 112.75 1de2 h THR 53 Ca 0.26 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 1de2 h THR 53 Cb 0.32 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1de2 h THR 53 CO -0.29 0.26 -0.06 0.11 0.37 0.00 0.00 175.52 175.91 1de2 h LYS 54 N 0.47 0.77 -0.69 6.66 1.79 0.14 -2.80 116.57 122.90 1de2 h LYS 54 Ca 0.10 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1de2 h LYS 54 Cb 0.32 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1de2 h LYS 54 CO 0.01 0.81 0.45 -0.07 -1.08 0.00 0.00 179.45 179.57 1de2 h LEU 55 N 0.71 0.81 0.00 2.94 3.38 -0.44 -3.45 115.31 119.26 1de2 h LEU 55 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1de2 h LEU 55 Cb 0.51 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1de2 h LEU 55 CO 0.03 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.77 1de2 n GLY 56 N -1.24 -0.97 1.00 0.83 0.00 -1.06 -4.95 105.19 98.80 1de2 n GLY 56 Ca 0.06 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 0.00 0.00 1.61 1.85 -1.26 -4.63 116.66 114.23 1de2 n ARG 57 Ca 0.00 -1.15 0.00 0.00 -1.00 0.00 0.00 57.85 55.70 1de2 n ARG 57 Cb 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 32.46 31.51 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1de2 n ASP 58 N 0.16 0.68 -4.47 2.89 -0.08 -1.26 -5.15 116.55 109.32 1de2 n ASP 58 Ca -0.08 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.96 1de2 n ASP 58 Cb 0.81 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.17 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de2 s THR 59 N 1.51 2.33 -0.42 5.18 -1.32 -1.26 -4.95 115.64 116.72 1de2 s THR 59 Ca 0.00 -2.34 -0.01 0.00 -1.21 0.00 0.00 61.69 58.13 1de2 s THR 59 Cb 0.00 -2.35 0.11 0.00 -1.51 0.00 0.00 72.50 68.75 1de2 s THR 59 CO 0.00 -0.38 0.19 0.00 -2.21 0.00 0.00 174.62 172.22 1de2 s GLN 60 N -3.55 1.92 -1.07 7.08 -2.07 -1.26 -5.04 119.66 115.67 1de2 s GLN 60 Ca 0.30 -1.93 -0.21 0.00 -1.82 0.00 0.00 55.36 51.69 1de2 s GLN 60 Cb -0.03 -3.49 0.07 0.00 -1.09 0.00 0.00 33.01 28.47 1de2 s GLN 60 CO 0.14 -1.05 1.46 0.42 -1.32 0.00 0.00 175.29 174.94 1de2 s ILE 61 N 0.92 4.11 0.00 3.63 1.09 -1.26 -3.52 121.20 126.16 1de2 s ILE 61 Ca 0.10 -1.16 0.00 0.00 -1.10 0.00 0.00 60.65 58.49 1de2 s ILE 61 Cb -0.22 -5.04 0.00 0.00 -1.06 0.00 0.00 42.46 36.14 1de2 s ILE 61 CO -0.05 -1.89 0.00 0.61 -0.10 0.00 0.00 174.94 173.51 1de2 n GLY 62 N 6.32 1.56 3.55 6.18 0.00 -1.26 -5.02 105.19 116.50 1de2 n GLY 62 Ca 0.35 -0.08 -0.55 0.00 0.00 0.00 0.00 46.02 45.75 1de2 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de2 n LEU 63 N -0.02 0.86 -4.58 0.99 -0.00 -1.23 -4.96 117.00 108.06 1de2 n LEU 63 Ca 0.00 1.14 -0.30 0.00 -0.00 0.00 0.00 56.01 56.84 1de2 n LEU 63 Cb 0.05 -1.07 -0.10 0.00 -0.00 0.00 0.00 43.42 42.30 1de2 n LEU 63 CO 0.00 -1.49 -0.41 -0.89 -0.00 0.00 0.00 177.39 174.60 1de2 s THR 64 N 0.18 3.45 0.21 1.96 2.01 -1.26 -5.14 115.64 117.05 1de2 s THR 64 Ca 0.86 -1.13 0.11 0.00 0.31 0.00 0.00 61.69 61.84 1de2 s THR 64 Cb -1.08 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1de2 s THR 64 CO 0.52 0.19 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.38 1de2 s MET 65 N -1.98 1.59 0.17 4.92 -1.94 -1.26 -3.89 119.30 116.91 1de2 s MET 65 Ca 0.20 -1.57 -0.29 0.00 -1.71 0.00 0.00 55.69 52.32 1de2 s MET 65 Cb -0.11 -1.85 -0.07 0.00 2.01 0.00 0.00 34.83 34.81 1de2 s MET 65 CO 0.12 0.38 0.93 -2.14 -0.01 0.00 0.00 175.02 174.30 1de2 s PRO 66 N -2.90 4.76 -0.30 2.03 0.02 -1.26 -5.02 135.00 132.32 1de2 s PRO 66 Ca 0.23 1.43 -0.12 0.00 0.02 0.00 0.00 61.00 62.56 1de2 s PRO 66 Cb -0.07 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1de2 s PRO 66 CO 0.11 0.39 0.22 -1.14 -0.33 0.00 0.00 177.00 176.25 1de2 s GLN 67 N -0.64 3.79 0.39 5.54 2.00 0.23 -3.83 119.66 127.14 1de2 s GLN 67 Ca 0.43 -0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.37 1de2 s GLN 67 Cb -0.24 -3.71 -0.02 0.00 0.80 0.00 0.00 33.01 29.83 1de2 s GLN 67 CO 0.30 -0.28 0.61 0.08 -0.50 0.00 0.00 175.29 175.50 1de2 s VAL 68 N 1.76 4.71 0.02 1.34 1.01 0.38 0.20 120.40 129.82 1de2 s VAL 68 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1de2 s VAL 68 Cb -0.16 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1de2 s VAL 68 CO 0.11 -0.51 0.08 -0.36 0.00 0.00 0.00 175.10 174.42 1de2 s PHE 69 N -2.43 0.17 0.43 5.22 0.08 0.36 -2.89 117.98 118.91 1de2 s PHE 69 Ca 0.43 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.83 1de2 s PHE 69 Cb -0.10 -0.13 -0.08 0.00 -0.57 0.00 0.00 43.02 42.14 1de2 s PHE 69 CO 0.37 -0.30 1.30 0.00 -0.10 0.00 0.00 175.22 176.49 1de2 s ALA 70 N -1.99 3.17 0.18 5.36 0.00 0.31 -1.37 121.76 127.43 1de2 s ALA 70 Ca -0.10 1.22 0.33 0.00 0.00 0.00 0.00 51.96 53.40 1de2 s ALA 70 Cb -0.05 -3.49 1.73 0.00 0.00 0.00 0.00 23.12 21.31 1de2 s ALA 70 CO -0.02 -0.88 2.00 -1.35 0.00 0.00 0.00 175.76 175.52 1de2 h PRO 71 N 2.44 0.00 0.00 0.00 0.11 -1.87 -1.84 132.00 130.84 1de2 h PRO 71 Ca -0.50 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 1de2 h PRO 71 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1de2 h PRO 71 CO 0.62 0.00 -2.03 -0.40 -0.21 0.00 0.00 178.00 175.97 1de2 n ASP 72 N -2.68 0.80 0.00 -2.05 5.75 -1.26 -4.74 116.55 112.36 1de2 n ASP 72 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1de2 n ASP 72 Cb 0.09 1.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.47 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de2 n GLY 73 N 1.75 1.13 0.00 6.12 0.00 -0.69 -5.17 105.19 108.32 1de2 n GLY 73 Ca -0.18 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1de2 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de2 n SER 74 N 0.00 0.00 -4.68 1.61 3.41 -1.26 -4.86 113.62 107.85 1de2 n SER 74 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1de2 n SER 74 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1de2 n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1de2 n HIS 75 N 0.00 2.29 -0.02 7.33 -0.00 -1.26 0.11 115.22 123.67 1de2 n HIS 75 Ca 0.00 0.31 -0.02 0.00 0.46 0.00 0.00 57.72 58.47 1de2 n HIS 75 Cb 0.00 -2.52 -0.02 0.00 -0.12 0.00 0.00 29.99 27.32 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 2.88 0.23 0.00 3.57 -0.00 -1.14 -4.82 119.36 120.08 1de2 n ILE 76 Ca 0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 1de2 n ILE 76 Cb 0.30 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 39.08 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 2.89 0.23 0.00 7.39 0.00 -1.19 -4.29 105.19 110.23 1de2 n GLY 77 Ca -0.06 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.70 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 1.42 0.15 -0.02 0.00 -1.25 0.14 105.19 105.64 1de2 n GLY 78 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 -0.26 -0.15 1.61 3.57 -1.94 0.19 116.94 119.96 1de2 h PHE 79 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1de2 h PHE 79 Cb 0.00 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1de2 h PHE 79 CO 0.00 0.13 0.01 0.22 -2.23 0.00 0.00 178.31 176.44 1de2 h ASP 80 N -0.75 -0.04 -0.34 0.41 3.58 -1.96 0.28 116.42 117.60 1de2 h ASP 80 Ca -0.03 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1de2 h ASP 80 Cb 0.50 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1de2 h ASP 80 CO 0.05 0.00 0.00 1.56 -2.88 0.00 0.00 179.24 177.97 1de2 h GLN 81 N 0.06 0.70 -0.37 0.28 4.20 -1.87 -2.72 115.11 115.39 1de2 h GLN 81 Ca 0.07 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1de2 h GLN 81 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1de2 h GLN 81 CO -0.11 0.71 0.01 1.25 -0.67 0.00 0.00 178.83 180.02 1de2 h LEU 82 N 0.66 0.63 -1.21 1.46 7.12 0.07 -1.30 115.31 122.73 1de2 h LEU 82 Ca 0.13 -0.30 0.13 0.00 0.13 0.00 0.00 57.88 57.98 1de2 h LEU 82 Cb 0.40 -0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.29 1de2 h LEU 82 CO 0.02 0.77 0.59 0.03 -0.13 0.00 0.00 178.44 179.71 1de2 h ARG 83 N 0.46 0.76 -0.25 1.25 2.47 -0.17 0.30 114.38 119.19 1de2 h ARG 83 Ca 0.11 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 58.63 1de2 h ARG 83 Cb 0.44 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1de2 h ARG 83 CO 0.02 0.50 -0.47 0.93 0.56 0.00 0.00 179.97 181.51 1de2 h GLU 84 N 0.78 0.66 -0.48 0.04 3.07 -1.18 0.98 114.58 118.46 1de2 h GLU 84 Ca 0.45 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1de2 h GLU 84 Cb 0.63 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1de2 h GLU 84 CO -0.22 0.99 0.20 -0.92 -1.40 0.00 0.00 179.01 177.66 1de2 h TYR 85 N 0.53 0.68 0.00 4.33 3.20 0.60 -2.12 116.97 124.18 1de2 h TYR 85 Ca 0.03 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.70 1de2 h TYR 85 Cb 1.02 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1de2 h TYR 85 CO 0.05 0.53 -1.19 0.74 -1.64 0.00 0.00 178.16 176.64 1de2 h PHE 86 N 0.68 0.00 0.00 -3.82 0.04 -0.28 -3.51 116.94 110.05 1de2 h PHE 86 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1de2 h PHE 86 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1de2 h PHE 86 CO 0.01 0.68 0.00 1.63 -0.60 0.00 0.00 178.31 180.02